5WSQ
Crystal structure of C-Hg-T pair containing DNA duplex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-30 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 37.848, 51.138, 21.593 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.050 |
R-factor | 0.1562 |
Rwork | 0.155 |
R-free | 0.17491 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.097 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.090 |
High resolution limit [Å] | 1.050 | 1.050 |
Number of reflections | 19098 | |
<I/σ(I)> | 24 | |
Completeness [%] | 98.1 | 96.4 |
Redundancy | 2 | 1.9 |
CC(1/2) | 0.653 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 10% v/v MPD |